Basic information
- CAS
59301-23-4- Standard SMILES
Cc1ccccc1-c1nc(N)n[nH]1- InChIKey
JTVXXFOZWWQLPB-UHFFFAOYSA-N- Molecular formula
- C9H10N4
- Average molar mass
- 174.2 g/mol
- Monoisotopic mass
- 174.09054634
Names & identifiers
- Preferred name
- 5-(2-methylphenyl)-4H-1,2,4-triazol-3-amine
- IUPAC
- 5-(2-methylphenyl)-1H-1,2,4-triazol-3-amine
- English name
- 5-(2-Methylphenyl)-4H-1,2,4-triazol-3-amine
- Molecular formula
- C9H10N4
- Molecular weight
- 174.2
Names & synonyms
59301-23-45-(2-methylphenyl)-4H-1,2,4-triazol-3-amine3-(2-methylphenyl)-1H-1,2,4-triazol-5-amineDTXSID50350628RefChem:529601DTXCID50301695871-934-15-(o-Tolyl)-4H-1,2,4-triazol-3-amine5-(2-methylphenyl)-1H-1,2,4-triazol-3-amineMFCD004758705-(o-tolyl)-1H-1,2,4-triazol-3-amine5-Amino-3-(o-tolyl)-1H-1,2,4-triazole
Show more names
1H-1,2,4-Triazol-5-amine, 3-(2-methylphenyl)-5-(2-methylphenyl)-4H-1,2,4-triazol-3-amine(SALTDATA: FREE)
SCHEMBL15661192SCHEMBL22750820JTVXXFOZWWQLPB-UHFFFAOYSA-NBBL020138MFCD11852935SBB083026STK364441AKOS000152449
Database identifiers
- CAS
59301-23-4- PubChem CID
- 684580
- DTXSID
DTXSID50350628- EC Number
- 871-934-1
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 67.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 173
Physicochemical properties
- Boiling point
- 421.3 · 421.3±38.0 °C(Predicted)
- Density
- 1.261 · 1.261
- pka
- 10.66 · 10.66±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H302-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H302-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers4 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…